CID 51040788

6-chloro-3-(chloromethyl)-2-fluoropyridine

Structural Information

Molecular Formula
C6H4Cl2FN
SMILES
C1=CC(=NC(=C1CCl)F)Cl
InChI
InChI=1S/C6H4Cl2FN/c7-3-4-1-2-5(8)10-6(4)9/h1-2H,3H2
InChIKey
YOXQOPVYWNILET-UHFFFAOYSA-N
Compound name
6-chloro-3-(chloromethyl)-2-fluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

178.97049 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.97777 126.6
[M+Na]+ 201.95971 138.2
[M-H]- 177.96321 127.3
[M+NH4]+ 197.00431 147.0
[M+K]+ 217.93365 133.2
[M+H-H2O]+ 161.96775 121.4
[M+HCOO]- 223.96869 140.0
[M+CH3COO]- 237.98434 178.7
[M+Na-2H]- 199.94516 133.4
[M]+ 178.96994 128.3
[M]- 178.97104 128.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe